N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[4-ethyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[4-ethyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H17N5O5S/c1-2-22-16(10-19-17(25)15-7-4-8-28-15)20-21-18(22)29-11-14(24)12-5-3-6-13(9-12)23(26)27/h3-9H,2,10-11H2,1H3,(H,19,25)